(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane

C10H17F3 — CID 22321171

IUPAC(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane
SMILESCC(C)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H17F3/c1-9(2,10(11,12)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeySGOMDAPOYNWTIU-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.16
Rot. Bonds1

About (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane

(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane (PubChem CID 22321171) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane
PubChem CID22321171
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane
SMILESCC(C)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H17F3/c1-9(2,10(11,12)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeySGOMDAPOYNWTIU-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane?
The IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane (CID 22321171) is (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane.
What is the SMILES notation for (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane?
The canonical SMILES for (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane is CC(C)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane?
The InChIKey is SGOMDAPOYNWTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-9(2,10(11,12)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane?
(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane has a molecular weight of 194.24 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexane is sourced from PubChem (CID 22321171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).